PUBCHEM-ZINC04626672 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 2.0210 2.3250 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 1.3340 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 0.6200 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 0.7340 -2.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -0.5420 -3.7940 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6990 -1.1350 -3.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -0.2800 -5.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -1.5640 -5.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 -1.5200 -7.0190 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3210 -0.6240 -7.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -1.6910 -8.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -0.8560 -8.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 -1.2720 -9.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -2.5020 -10.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -3.3350 -9.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -2.9030 -8.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -3.5600 -8.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 -4.6360 -8.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -2.7170 -7.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -2.9610 -6.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 -1.9710 -5.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2330 -2.2050 -4.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8730 -3.4390 -4.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4170 -4.4340 -5.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3240 -4.1960 -6.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -1.3350 -3.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -2.0510 -3.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 1.8220 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 2.8680 -1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 3.0680 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 1.8370 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 1.3400 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -0.0930 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 0.0700 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 1.2490 -3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 1.4110 -3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 0.2690 -5.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 0.2880 -5.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 0.1000 -8.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -0.6330 -10.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -2.8030 -11.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.2820 -10.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -0.9840 -5.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5870 -1.4190 -3.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7260 -3.6240 -3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 -5.4030 -5.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0070 -5.0140 -6.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.2970 -1.5480 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9960 -0.1980 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -0.4520 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 48 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 48 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 M CHG 1 48 1 M END